The diatomic dication CuZn2+ in the gas phase

Area of Science:

• Physical Chemistry
• Atomic and Molecular Physics
• Mass Spectrometry

Background:

• Dicationic molecular species are rare and challenging to study.
• Understanding the stability and formation of exotic molecular ions provides insight into chemical bonding.

Purpose of the Study:

• To report the observation and characterization of the novel gas-phase dication CuZn(2+).
• To investigate the electronic binding and formation mechanism of this metastable molecule.
• To provide theoretical insights into the dication's properties.

Main Methods:

• Experimental observation using mass spectrometry with high-current energetic Ar(+) ion bombardment of a brass surface.
• Detection of CuZn(2+) isotopomers via their mass-to-charge ratio (m/z) and isotopic abundance.
• Theoretical calculations including ionization energy, electronic binding, and spin-orbit corrections.

Main Results:

• Successful detection and unambiguous identification of the gas-phase CuZn(2+) dication.
• Identification of resonant electron transfer as the primary dication formation mechanism.
• Determination of a metastable ground state for CuZn(2+) with a shallow potential well, requiring spin-orbit corrections for accurate description.

Conclusions:

• The study confirms the existence of the novel CuZn(2+) dication, expanding the known landscape of molecular ions.
• The findings elucidate a specific mechanism for dication formation in gas-phase collisions.
• The theoretical and experimental data provide a foundation for further studies on metastable dications and their electronic properties.